2-cyclopropylpyridazin-3-one

C7H8N2O — CID 126857265

IUPAC2-cyclopropylpyridazin-3-one
SMILESO=c1cccnn1C1CC1
InChIInChI=1S/C7H8N2O/c10-7-2-1-5-8-9(7)6-3-4-6/h1-2,5-6H,3-4H2
InChIKeyOLYKKJJHQKMVRB-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.58
Rot. Bonds1

About 2-cyclopropylpyridazin-3-one

2-cyclopropylpyridazin-3-one (PubChem CID 126857265) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-cyclopropylpyridazin-3-one
PubChem CID126857265
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-cyclopropylpyridazin-3-one
SMILESO=c1cccnn1C1CC1
InChIInChI=1S/C7H8N2O/c10-7-2-1-5-8-9(7)6-3-4-6/h1-2,5-6H,3-4H2
InChIKeyOLYKKJJHQKMVRB-UHFFFAOYSA-N
XLogP0.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpyridazin-3-one?
The IUPAC name of 2-cyclopropylpyridazin-3-one (CID 126857265) is 2-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-cyclopropylpyridazin-3-one is O=c1cccnn1C1CC1.
What is the InChIKey of 2-cyclopropylpyridazin-3-one?
The InChIKey is OLYKKJJHQKMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-7-2-1-5-8-9(7)6-3-4-6/h1-2,5-6H,3-4H2.
What are the key properties of 2-cyclopropylpyridazin-3-one?
2-cyclopropylpyridazin-3-one has a molecular weight of 136.15 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126857265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).